About 6-amino-2-butoxy-9-[(4-isocyanatophenyl)methyl]-7H-purin-8-one;1-[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenyl]-3-[2-[2-[[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]sulfamoyl]ethylsulfanyl]ethyl]urea;(3-amino-2,6-difluorophenyl)-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;2-aminoethanethiol;2-(2-aminoethylsulfanyl)-N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]ethanesulfonamide;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]ethenesulfonamide;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;ethenesulfonyl chloride
6-amino-2-butoxy-9-[(4-isocyanatophenyl)methyl]-7H-purin-8-one;1-[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenyl]-3-[2-[2-[[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]sulfamoyl]ethylsulfanyl]ethyl]urea;(3-amino-2,6-difluorophenyl)-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;2-aminoethanethiol;2-(2-aminoethylsulfanyl)-N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]ethanesulfonamide;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]ethenesulfonamide;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;ethenesulfonyl chloride (PubChem CID 157248249) has the molecular formula C151H132Cl6F10N30O21S8
and a molecular weight of 3362.14 g/mol. Its IUPAC name is 6-amino-2-butoxy-9-[(4-isocyanatophenyl)methyl]-7H-purin-8-one;1-[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenyl]-3-[2-[2-[[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]sulfamoyl]ethylsulfanyl]ethyl]urea;(3-amino-2,6-difluorophenyl)-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;2-aminoethanethiol;2-(2-aminoethylsulfanyl)-N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]ethanesulfonamide;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]ethenesulfonamide;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;ethenesulfonyl chloride.
Frequently Asked Questions
What is the IUPAC name of 6-amino-2-butoxy-9-[(4-isocyanatophenyl)methyl]-7H-purin-8-one;1-[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenyl]-3-[2-[2-[[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]sulfamoyl]ethylsulfanyl]ethyl]urea;(3-amino-2,6-difluorophenyl)-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;2-aminoethanethiol;2-(2-aminoethylsulfanyl)-N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]ethanesulfonamide;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]ethenesulfonamide;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;ethenesulfonyl chloride?
The IUPAC name of 6-amino-2-butoxy-9-[(4-isocyanatophenyl)methyl]-7H-purin-8-one;1-[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenyl]-3-[2-[2-[[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]sulfamoyl]ethylsulfanyl]ethyl]urea;(3-amino-2,6-difluorophenyl)-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;2-aminoethanethiol;2-(2-aminoethylsulfanyl)-N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]ethanesulfonamide;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]ethenesulfonamide;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;ethenesulfonyl chloride (CID 157248249) is 6-amino-2-butoxy-9-[(4-isocyanatophenyl)methyl]-7H-purin-8-one;1-[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenyl]-3-[2-[2-[[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]sulfamoyl]ethylsulfanyl]ethyl]urea;(3-amino-2,6-difluorophenyl)-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;2-aminoethanethiol;2-(2-aminoethylsulfanyl)-N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]ethanesulfonamide;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]ethenesulfonamide;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;ethenesulfonyl chloride.
What is the SMILES notation for 6-amino-2-butoxy-9-[(4-isocyanatophenyl)methyl]-7H-purin-8-one;1-[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenyl]-3-[2-[2-[[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]sulfamoyl]ethylsulfanyl]ethyl]urea;(3-amino-2,6-difluorophenyl)-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;2-aminoethanethiol;2-(2-aminoethylsulfanyl)-N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]ethanesulfonamide;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]ethenesulfonamide;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;ethenesulfonyl chloride?
The canonical SMILES for 6-amino-2-butoxy-9-[(4-isocyanatophenyl)methyl]-7H-purin-8-one;1-[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenyl]-3-[2-[2-[[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]sulfamoyl]ethylsulfanyl]ethyl]urea;(3-amino-2,6-difluorophenyl)-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;2-aminoethanethiol;2-(2-aminoethylsulfanyl)-N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]ethanesulfonamide;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]ethenesulfonamide;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;ethenesulfonyl chloride is C=CS(=O)(=O)Cl.C=CS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F.CCCCOc1nc(N)c2[nH]c(=O)n(Cc3ccc(N=C=O)cc3)c2n1.CCCCOc1nc(N)c2[nH]c(=O)n(Cc3ccc(NC(=O)NCCSCCS(=O)(=O)Nc4ccc(F)c(C(=O)c5c[nH]c6ncc(-c7ccc(Cl)cc7)cc56)c4F)cc3)c2n1.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F.NCCS.NCCSCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F.Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F.
What is the InChIKey of 6-amino-2-butoxy-9-[(4-isocyanatophenyl)methyl]-7H-purin-8-one;1-[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenyl]-3-[2-[2-[[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]sulfamoyl]ethylsulfanyl]ethyl]urea;(3-amino-2,6-difluorophenyl)-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;2-aminoethanethiol;2-(2-aminoethylsulfanyl)-N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]ethanesulfonamide;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]ethenesulfonamide;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;ethenesulfonyl chloride?
The InChIKey is AWAPSCXROYQQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H39ClF2N10O6S2.C24H21ClF2N4O3S2.C23H18ClF2N3O3S.C22H14ClF2N3O3S.C20H12ClF2N3O.C17H18N6O3.C2H3ClO2S.C2H7NS/c1-2-3-15-60-40-51-36(45)34-38(52-40)54(41(57)50-34)22-23-4-10-27(11-5-23)49-39(56)46-14-16-61-17-18-62(58,59)53-31-13-12-30(43)32(33(31)44)35(55)29-21-48-37-28(29)19-25(20-47-37)24-6-8-26(42)9-7-24;25-16-3-1-14(2-4-16)15-11-17-18(13-30-24(17)29-12-15)23(32)21-19(26)5-6-20(22(21)27)31-36(33,34)10-9-35-8-7-28;1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13;1-2-32(30,31)28-18-8-7-17(24)19(20(18)25)21(29)16-11-27-22-15(16)9-13(10-26-22)12-3-5-14(23)6-4-12;21-12-3-1-10(2-4-12)11-7-13-14(9-26-20(13)25-8-11)19(27)17-15(22)5-6-16(24)18(17)23;1-2-3-8-26-16-21-14(18)13-15(22-16)23(17(25)20-13)9-11-4-6-12(7-5-11)19-10-24;1-2-6(3,4)5;3-1-2-4/h4-13,19-21,53H,2-3,14-18,22H2,1H3,(H,47,48)(H,50,57)(H2,45,51,52)(H2,46,49,56);1-6,11-13,31H,7-10,28H2,(H,29,30);3-8,10-12,29H,2,9H2,1H3,(H,27,28);2-11,28H,1H2,(H,26,27);1-9H,24H2,(H,25,26);4-7H,2-3,8-9H2,1H3,(H,20,25)(H2,18,21,22);2H,1H2;4H,1-3H2.
What are the key properties of 6-amino-2-butoxy-9-[(4-isocyanatophenyl)methyl]-7H-purin-8-one;1-[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenyl]-3-[2-[2-[[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]sulfamoyl]ethylsulfanyl]ethyl]urea;(3-amino-2,6-difluorophenyl)-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;2-aminoethanethiol;2-(2-aminoethylsulfanyl)-N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]ethanesulfonamide;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]ethenesulfonamide;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;ethenesulfonyl chloride?
6-amino-2-butoxy-9-[(4-isocyanatophenyl)methyl]-7H-purin-8-one;1-[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenyl]-3-[2-[2-[[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]sulfamoyl]ethylsulfanyl]ethyl]urea;(3-amino-2,6-difluorophenyl)-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;2-aminoethanethiol;2-(2-aminoethylsulfanyl)-N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]ethanesulfonamide;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]ethenesulfonamide;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;ethenesulfonyl chloride has a molecular weight of 3362.14 g/mol, XLogP of 30.02, 53 rotatable bonds, 19 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-butoxy-9-[(4-isocyanatophenyl)methyl]-7H-purin-8-one;1-[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenyl]-3-[2-[2-[[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]sulfamoyl]ethylsulfanyl]ethyl]urea;(3-amino-2,6-difluorophenyl)-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;2-aminoethanethiol;2-(2-aminoethylsulfanyl)-N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]ethanesulfonamide;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]ethenesulfonamide;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;ethenesulfonyl chloride is sourced from PubChem (CID 157248249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).